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Unveiling the Physics Behind Hybrid Functionals
[Image: see text] We show that accurate exchange–correlation hybrid functionals give very physically optimized effective-correlation potentials, capable of correctly describing the quantum oscillations of atoms and molecules. Based on this analysis and on understanding the error cancellation between...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7590981/ https://www.ncbi.nlm.nih.gov/pubmed/32551627 http://dx.doi.org/10.1021/acs.jpca.0c04156 |